DyNiGe3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1087478 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

DyNiGe3

MP-ID

mp-1087478

Elements

Sites

Density

8.2153

g/cm³

Volume

177.51

Å³

Cell a

10.9251

Cell b

10.9251

Cell c

4.0746

α Angle

90.00

β Angle

90.00

γ Angle

158.59

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
8.24	10.7350	4.3	(1,-1,0)
16.52	5.3675	6.4	(2,-2,0)
25.23	3.5302	7.5	(2,-1,0)
27.48	3.2454	3.4	(2,-2,1)
30.30	2.9495	4.9	(3,-2,0)
33.32	2.6887	25.3	(3,-3,1)
33.39	2.6837	10.7	(4,-4,0)
33.59	2.6681	100.0	(2,-1,1)
36.73	2.4469	7.4	(4,-3,0)
37.65	2.3892	12.5	(3,-2,1)
40.24	2.2413	5.6	(4,-4,1)
42.09	2.1470	1.6	(5,-5,0)
43.12	2.0977	8.3	(4,-3,1)
44.03	2.0566	21.7	(5,-4,0)
44.47	2.0373	24.6	(0,0,2)
44.66	2.0292	24.3	(1,1,0)
47.89	1.8994	4.6	(5,-5,1)
49.66	1.8360	5.4	(5,-4,1)
51.81	1.7645	2.3	(2,-1,2)
51.99	1.7590	2.9	(6,-5,0)
53.24	1.7205	1.2	(3,-1,1)
54.76	1.6763	1.8	(3,-2,2)
56.15	1.6382	7.5	(6,-6,1)
56.73	1.6227	4.7	(4,-4,2)

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Energy Properties

Formation Energy/atom

-0.57235

eV/atom

Energy/atom

-5.42587

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.7259

eV/atom

Volume/atom

17.75

Å³

c/a Ratio

0.3730

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

16.8109

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.914%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3084

smaller = more stable mixing

VEC

6.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.662

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.600

Related Tasks

Related computation task IDs (5)

aaadncbn aaadrmzs aaaektji aaaeubtg aaafcrwx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1087478

Reference Citation

The crystal structure and related material properties of DyNiGe3 were obtained from the Materials Project database (MP-ID: mp-1087478, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_DyNiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92504750
_cell_length_b   10.92504750
_cell_length_c   4.07458642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.59203979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyNiGe3
_chemical_formula_sum   'Dy2 Ni2 Ge6'
_cell_volume   177.51308185
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Dy  Dy0  1  0.16858293  0.83141707  0.50000000  1.0
  Dy  Dy1  1  0.83141707  0.16858293  0.50000000  1.0
  Ni  Ni2  1  0.38960210  0.61039790  0.00000000  1.0
  Ni  Ni3  1  0.61039790  0.38960210  -0.00000000  1.0
  Ge  Ge4  1  0.28367280  0.71632720  -0.00000000  1.0
  Ge  Ge5  1  0.71632720  0.28367280  -0.00000000  1.0
  Ge  Ge6  1  0.44264535  0.55735465  0.50000000  1.0
  Ge  Ge7  1  0.55735465  0.44264535  0.50000000  1.0
  Ge  Ge8  1  0.05746891  0.94253109  -0.00000000  1.0
  Ge  Ge9  1  0.94253109  0.05746891  0.00000000  1.0

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